Compound Detail
CHEMBL3260854
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Basic Information
| ChEMBL ID | CHEMBL3260854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXVGIEKADYFHOF-UHNVWZDZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
0.28
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-alanyl-D-alanine dipeptidase CHEMBL1681622 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-alanyl-D-alanine dipeptidase | Ki | = | 1500.0 | nM | 5.82 | Inhibition of Enterococcus faecium VanX expressed in Escherichia coli BL21 (DE3)... | 24751446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3137344 | 10.1021/jm00117a017 | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | 1 |
| 24751446 | 10.1016/j.bmcl.2014.03.097 | D-alanyl-D-alanine dipeptidase | 1 |
Data from ChEMBL 36 via Core Engine